SCHEMBL5873738

SCHEMBL5873738

CSC1C(=O)Nc2ccc3c(ncn3C(=O)OC(C)(C)C)c21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 1/20 0.34
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
DDB1 Q16531 6/20 0.33
CRBN Q96SW2 6/20 0.33
HCAR1 Q9BXC0 1/20 0.32
PIM1 P11309 1/20 0.31
MARK3 P27448 1/20 0.31
MAP4K2 Q12851 1/20 0.31
CAMK2B Q13554 1/20 0.31
PIM3 Q86V86 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
NR1H2 P55055 4/20 0.31
RXRA P19793 2/20 0.31
NR1H3 Q13133 2/20 0.31
CCNB2 O95067 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
GSK3B P49841 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5873864 0.75 CCNB2 (0.45) BUB1BRD4CREBBPDDB1CRBN
SCHEMBL5873971 0.75 KDM1A (0.36) DDB1CRBNGPR119CTSDCTSE
SCHEMBL5414470 0.67 HSP90AA1 (0.38) BUB1PIM1MARK3MAP4K2CAMK2B
SCHEMBL6142331 0.66 HSP90AA1 (0.37) BUB1PIM1MARK3MAP4K2CAMK2B
SCHEMBL5725758 0.66 BUB1 (0.37) BUB1BRD4CREBBPHCAR1PIM1
SCHEMBL1161439 0.66 L3MBTL1 (0.41) BUB1PIM1MARK3MAP4K2CAMK2B
SCHEMBL28619984 0.66 BCHE (0.39) BUB1PIM1MARK3MAP4K2CAMK2B
SCHEMBL9982679 0.65 L3MBTL1 (0.44) BRD4CREBBPPIM1MARK3MAP4K2
SCHEMBL7345451 0.65 STS (0.38) BRD4GPR119
SCHEMBL482658 0.65 NOTUM (0.35) BRD4CREBBPPIK3CDGPR119MAP4K4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7129253-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-10-31 US disclosed
US-7105529-B2 Substituted oxindole derivatives as protein tyrosine and as protein serine/threonine kinase inhibitors and compositions and methods of treating chemotherapy and radiation therapy side effects SMITHKLINE BEECHAM CORPORATION (US) 2006-09-12 US disclosed
US-6818632-B2 3-(anilinomethylene)oxindoles SMITHKLINE BEECHAM CORPORATION 2004-11-16 US disclosed
US-20040191210-A1 Compounds GLENNON KIMBERLEY CAROLINE (US) 2004-09-30 US disclosed
US-20030069430-A1 Substituted oxindole derivatives as protein tyrosine and as protein serine/threonine kinase inhibitors and compositions and methods of treating chemotherapy and radiation therapy side effects SMITHKLINE BEECHAM CORPORATION 2003-04-10 US disclosed
US-6498176-B1 INHIBITING TUMOR GROWTH VIA INHIBITION OF TUMOR-RELATED ANGIOGENESIS SMITHKLINEBEECHAM CORPORATION 2002-12-24 US disclosed
US-20020099071-A1 Protein tyrosine kinase and protein serin/threonine kinase inhibitory activity; anticancer agents; treating chemotherapy induced alopecia GLENNON KIMBERLEY CAROLINE (US) 2002-07-25 US disclosed
US-6369086-B1 Substituted oxidole derivatives as protein tyrosine and as protein serine/threonine kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2002-04-09 US disclosed
US-6350747-B1 PROTEIN SERINE/THREONINE KINASE AND PROTEIN TYROSINE KINASE ENZYME INHIBITORS; ANGIOGENESIS INHIBITORS; ANTITUMOR AND ANTIPROLIFERATIVE AGENTS GLAXO WELLCOME INC. 2002-02-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040191210-A1 Compounds CDK1, AKT1, RPS6KA1 BUB1 63/4885BRD4 1196/4885CREBBP 1115/4885
US-20020099071-A1 Protein tyrosine kinase and protein serin/threonine kinase inhibitory activity; anticancer agents; treating chemotherapy induced alopecia PRKDC, PRKX, BMX BUB1 32/4885BRD4 1954/4885CREBBP 1271/4885
US-20030069430-A1 Substituted oxindole derivatives as protein tyrosine and as protein serine/threonine kinase inhibitors and compositions and methods of treating chemotherapy and radiation therapy side effects SRC, CDK2, CDK1 BUB1 310/4885BRD4 1376/4885CREBBP 1056/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.